UCSF

ZINC37038515

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.80 6.11 -105.12 4 4 2 52 257.422 6
Hi High (pH 8-9.5) 0.80 4.31 -48.68 3 4 1 51 256.414 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )